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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.76 -7.18 -13.7 0 6 0 74 374.528 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.58 -3.7 -60.04 0 7 -1 97 367.447 6 ↓

    Analogs

    30963127
    30963127

    Draw Identity 99% 90% 80% 70%


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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.07 -3.82 -52.28 0 7 -1 97 353.42 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.72 -7.23 -15.62 0 6 0 74 346.474 4 ↓

    Analogs

    25147698
    25147698
    35489925
    35489925
    41685038
    41685038

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(5-bromo-2-methoxy-phenyl)sulfonyl-4-ethyl-piperazine 1-(5-bromo-2-methoxy-phenyl)sulf…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.31 -3.36 -45.89 1 5 1 51 364.285 4 ↓

    Analogs

    8236975
    8236975

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-methylsulfanyl-ethanone 1-[4-(2-fluorophenyl)sulfonylpip…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.10 -3.75 -17.01 0 5 0 57 332.422 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-2-methyl-propyl]acetamide N-[1-[4-(2-fluorophenyl)sulfonyl…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.83 -4.73 -14.32 1 7 0 86 385.461 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-2-methyl-propyl]acetamide N-[1-[4-(2-fluorophenyl)sulfonyl…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.83 -4.83 -13.91 1 7 0 86 385.461 5 ↓

    Analogs

    25813390
    25813390

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2,2-dimethyl-propan-1-one 1-[4-(2-fluorophenyl)sulfonylpip…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.28 -2.76 -13.53 0 5 0 57 328.409 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-propan-1-one 1-[4-(2-fluorophenyl)sulfonylpip…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.70 -3.01 -13.56 0 5 0 57 314.382 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3,3-dimethyl-butan-1-one 1-[4-(2-fluorophenyl)sulfonylpip…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.55 -2.41 -13.53 0 5 0 57 342.436 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[5-(chloromethyl)-2-fluoro-phenyl]sulfonyl-4-methyl-piperazine 1-[5-(chloromethyl)-2-fluoro-phe…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.81 3.14 -10.09 0 4 0 41 306.79 3 ↓
    Mid Mid (pH 6-8) 1.81 5.52 -46.61 1 4 1 42 307.798 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2,2-dimethyl-propan-1-one 1-[4-(2,3-dichlorophenyl)sulfony…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.43 5.53 -14.43 0 5 0 58 379.309 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]-4-methyl-pentan-1-one 1-[4-(2,5-dibromophenyl)sulfonyl…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.93 7.22 -12.01 0 5 0 58 482.238 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-ethyl-4-(4-isopropylpiperazin-1-yl)sulfonyl-aniline N-ethyl-4-(4-isopropylpiperazin-…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.05 5.07 -41.15 2 5 1 54 312.459 5 ↓
    Mid Mid (pH 6-8) 2.05 2.91 -8.36 1 5 0 53 311.451 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-isopropylpiperazin-1-yl)sulfonyl-N-methyl-aniline 2-(4-isopropylpiperazin-1-yl)sul…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.62 4.74 -41.97 2 5 1 54 298.432 4 ↓
    Mid Mid (pH 6-8) 1.62 2.34 -8.88 1 5 0 53 297.424 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-ethyl-2-(4-isopropylpiperazin-1-yl)sulfonyl-aniline N-ethyl-2-(4-isopropylpiperazin-…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.00 5.45 -46.88 2 5 1 54 312.459 5 ↓
    Mid Mid (pH 6-8) 2.00 3.43 -8.38 1 5 0 53 311.451 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylaniline 3-[4-(2,2,2-trifluoroethyl)piper…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.12 1.14 -10.81 2 5 0 67 323.34 4 ↓
    Lo Low (pH 4.5-6) 1.12 3.22 -49.26 3 5 1 68 324.348 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylaniline 4-[4-(2,2,2-trifluoroethyl)piper…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.14 1.14 -11.06 2 5 0 67 323.34 4 ↓
    Lo Low (pH 4.5-6) 1.14 3.22 -49.2 3 5 1 68 324.348 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylaniline 2-[4-(2,2,2-trifluoroethyl)piper…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.50 1.44 -11.74 2 5 0 67 323.34 4 ↓
    Lo Low (pH 4.5-6) 1.50 3.53 -55.53 3 5 1 68 324.348 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-2-methyl-propan-1-one 1-[4-(3-aminophenyl)sulfonylpipe…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.64 2.49 -13.9 2 6 0 84 311.407 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]-2-methyl-propan-1-one 1-[4-(4-aminophenyl)sulfonylpipe…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.66 2.49 -14.07 2 6 0 84 311.407 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(2-aminophenyl)sulfonylpiperazin-1-yl]-2-methyl-propan-1-one 1-[4-(2-aminophenyl)sulfonylpipe…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.02 2.88 -13.3 2 6 0 84 311.407 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(3-aminophenyl)sulfonyl-N,N-dimethyl-piperazine-1-carboxamide 4-(3-aminophenyl)sulfonyl-N,N-di…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.30 1.57 -15.29 2 7 0 87 312.395 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(4-aminophenyl)sulfonyl-N,N-dimethyl-piperazine-1-carboxamide 4-(4-aminophenyl)sulfonyl-N,N-di…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.28 1.4 -16.42 2 7 0 87 312.395 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-aminophenyl)sulfonyl-N,N-dimethyl-piperazine-1-carboxamide 4-(2-aminophenyl)sulfonyl-N,N-di…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.08 1.81 -16.48 2 7 0 87 312.395 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-chloro-3-(4-isobutylpiperazin-1-yl)sulfonyl-aniline 4-chloro-3-(4-isobutylpiperazin-…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.95 2.53 -8.46 2 5 0 67 331.869 4 ↓
    Mid Mid (pH 6-8) 1.95 4.49 -42.09 3 5 1 68 332.877 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-5-(4-isobutylpiperazin-1-yl)sulfonyl-aniline 2-chloro-5-(4-isobutylpiperazin-…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.35 2.95 -7.53 2 5 0 67 331.869 4 ↓
    Mid Mid (pH 6-8) 2.35 4.89 -43.78 3 5 1 68 332.877 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-amino-4-(4-isobutylpiperazin-1-yl)sulfonyl-phenol 2-amino-4-(4-isobutylpiperazin-1…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.46 -0.36 -9.55 3 6 0 87 313.423 4 ↓
    Hi High (pH 8-9.5) 1.46 0.4 -42.31 2 6 -1 90 312.415 4 ↓
    Mid Mid (pH 6-8) 1.46 1.56 -45.23 4 6 1 88 314.431 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-chlorophenyl)sulfonyl-4-[(1R)-1-methylpropyl]piperazine 1-(4-chlorophenyl)sulfonyl-4-[(1…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.03 4.7 -6.62 0 4 0 41 316.854 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-chlorophenyl)sulfonyl-4-[(1S)-1-methylpropyl]piperazine 1-(4-chlorophenyl)sulfonyl-4-[(1…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.03 4.8 -6.81 0 4 0 41 316.854 4 ↓

    Analogs

    38291265
    38291265
    38291266
    38291266

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-chlorophenyl)sulfonyl-4-isopropyl-piperazine 1-(4-chlorophenyl)sulfonyl-4-iso…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.49 3.66 -7.03 0 4 0 41 302.827 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-chloro-2-(4-isobutylpiperazin-1-yl)sulfonyl-aniline 5-chloro-2-(4-isobutylpiperazin-…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.35 3.28 -7.3 2 5 0 67 331.869 4 ↓
    Mid Mid (pH 6-8) 2.35 5.2 -44.7 3 5 1 68 332.877 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-bromo-2-(4-isobutylpiperazin-1-yl)sulfonyl-aniline 5-bromo-2-(4-isobutylpiperazin-1…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.49 3.38 -7.32 2 5 0 67 376.32 4 ↓
    Mid Mid (pH 6-8) 2.49 5.31 -44.79 3 5 1 68 377.328 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-fluoro-2-(4-isobutylpiperazin-1-yl)sulfonyl-aniline 4-fluoro-2-(4-isobutylpiperazin-…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.84 2.74 -7.99 2 5 0 67 315.414 4 ↓
    Mid Mid (pH 6-8) 1.84 4.68 -45.88 3 5 1 68 316.422 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-chloro-2-(4-isobutylpiperazin-1-yl)sulfonyl-aniline 4-chloro-2-(4-isobutylpiperazin-…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.35 3.2 -7.56 2 5 0 67 331.869 4 ↓
    Mid Mid (pH 6-8) 2.35 5.14 -45.63 3 5 1 68 332.877 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-bromo-2-(4-isobutylpiperazin-1-yl)sulfonyl-aniline 4-bromo-2-(4-isobutylpiperazin-1…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.49 3.3 -7.44 2 5 0 67 376.32 4 ↓
    Mid Mid (pH 6-8) 2.49 5.24 -45.39 3 5 1 68 377.328 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-prop-2-ynylpiperazin-1-yl)sulfonylaniline 3-(4-prop-2-ynylpiperazin-1-yl)s…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.35 1.13 -10.08 2 5 0 67 279.365 3 ↓
    Lo Low (pH 4.5-6) 0.35 3.39 -45.12 3 5 1 68 280.373 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(4-prop-2-ynylpiperazin-1-yl)sulfonylaniline 4-(4-prop-2-ynylpiperazin-1-yl)s…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.38 1.17 -10.29 2 5 0 67 279.365 3 ↓
    Lo Low (pH 4.5-6) 0.38 3.42 -43.87 3 5 1 68 280.373 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-prop-2-ynylpiperazin-1-yl)sulfonylaniline 2-(4-prop-2-ynylpiperazin-1-yl)s…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.74 1.56 -9.68 2 5 0 67 279.365 3 ↓
    Lo Low (pH 4.5-6) 0.74 3.72 -50.91 3 5 1 68 280.373 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-fluoro-2-(4-prop-2-ynylpiperazin-1-yl)sulfonyl-aniline 5-fluoro-2-(4-prop-2-ynylpiperaz…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.88 1.62 -9.12 2 5 0 67 297.355 3 ↓
    Lo Low (pH 4.5-6) 0.88 3.86 -46.21 3 5 1 68 298.363 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-3-(4-prop-2-ynylpiperazin-1-yl)sulfonyl-aniline 4-methyl-3-(4-prop-2-ynylpiperaz…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.76 1.44 -9.93 2 5 0 67 293.392 3 ↓
    Lo Low (pH 4.5-6) 0.76 3.68 -46.33 3 5 1 68 294.4 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-chloro-3-(4-prop-2-ynylpiperazin-1-yl)sulfonyl-aniline 4-chloro-3-(4-prop-2-ynylpiperaz…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.98 1.32 -10.28 2 5 0 67 313.81 3 ↓
    Lo Low (pH 4.5-6) 0.98 3.57 -43.85 3 5 1 68 314.818 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-chloro-4-(4-prop-2-ynylpiperazin-1-yl)sulfonyl-aniline 3-chloro-4-(4-prop-2-ynylpiperaz…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.98 1.33 -10.64 2 5 0 67 313.81 3 ↓
    Lo Low (pH 4.5-6) 0.98 3.57 -43.78 3 5 1 68 314.818 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-5-(4-prop-2-ynylpiperazin-1-yl)sulfonyl-aniline 2-chloro-5-(4-prop-2-ynylpiperaz…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.39 1.74 -8.95 2 5 0 67 313.81 3 ↓
    Lo Low (pH 4.5-6) 1.39 4 -45.08 3 5 1 68 314.818 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-amino-4-(4-prop-2-ynylpiperazin-1-yl)sulfonyl-phenol 2-amino-4-(4-prop-2-ynylpiperazi…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.49 -1.58 -10.94 3 6 0 87 295.364 3 ↓
    Hi High (pH 8-9.5) 0.49 -0.81 -43.92 2 6 -1 90 294.356 3 ↓
    Lo Low (pH 4.5-6) 0.49 0.68 -46.38 4 6 1 88 296.372 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-fluoro-5-(4-prop-2-ynylpiperazin-1-yl)sulfonyl-aniline 2-fluoro-5-(4-prop-2-ynylpiperaz…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.88 1.26 -9.27 2 5 0 67 297.355 3 ↓
    Lo Low (pH 4.5-6) 0.88 3.52 -45.71 3 5 1 68 298.363 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methyl-5-(4-prop-2-ynylpiperazin-1-yl)sulfonyl-aniline 2-methyl-5-(4-prop-2-ynylpiperaz…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.16 1.91 -10.18 2 5 0 67 293.392 3 ↓
    Lo Low (pH 4.5-6) 1.16 4.16 -45.06 3 5 1 68 294.4 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methoxy-5-(4-prop-2-ynylpiperazin-1-yl)sulfonyl-aniline 2-methoxy-5-(4-prop-2-ynylpipera…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.77 0.55 -10.47 2 6 0 76 309.391 4 ↓
    Lo Low (pH 4.5-6) 0.77 2.81 -46.01 3 6 1 77 310.399 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-chloro-2-methyl-5-(4-prop-2-ynylpiperazin-1-yl)sulfonyl-aniline 3-chloro-2-methyl-5-(4-prop-2-yn…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.77 2.34 -9.95 2 5 0 67 327.837 3 ↓
    Lo Low (pH 4.5-6) 1.77 4.6 -46.01 3 5 1 68 328.845 3 ↓

    Parameters Provided:

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filter.purchasability = annotated
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    Structural Results Found: (before additional filtering)

    SQL Query Was

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    //zinc12.docking.org/results/combination?ring.id=3800&filter.purchasability=annotated

    Embed Link to Results

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